| SpectraBase Compound ID | 4UayPaka6gM |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-4-23-19(21)14-9-7-5-6-8-10-15-20(22)24-18-13-11-12-16(2)17(18)3/h11-13H,4-10,14-15H2,1-3H3 |
| InChIKey | CRGYPJGRJWOECR-UHFFFAOYSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KrpTZyVtsa1 |
|---|---|
| Name | Sebacic acid, 2,3-dimethylphenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.214409442 u |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-4-23-19(21)14-9-7-5-6-8-10-15-20(22)24-18-13-11-12-16(2)17(18)3/h11-13H,4-10,14-15H2,1-3H3 |
| InChIKey | CRGYPJGRJWOECR-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C(CCCCC(OC1=C(C(C)=CC=C1)C)=O)CCCC(OCC)=O |